Abdulelah-Gani Secondary Model
AbdulelahGani Secondary Structures FragmentationModel implementation.
Import and use the AbdulelahGani Secondary Structures FragmentationModel with:
from ugropy import abdulelah_gani_s
# Get groups from molecule's name
tol = abdulelah_gani_s.get_groups("toluene")
print(tol.subgroups)
# Get groups from molecule's SMILES
eth = abdulelah_gani_s.get_groups("CCO", "smiles")
print(eth.subgroups)